Hexyl 2-methylpropanoate is a carboxylic ester.
Definition
Hexyl 2-methylpropanoate is a carboxylic ester.
Source: PubChem
US FDA substance register · UNII 5FC79GHU69 · registered name HEXYL ISOBUTYRATE · single chemical substance
Cosmetic roles
Gives the product a scentPERFUMING
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
HEXYL ISOBUTYRATEINCIPropanoic acid, 2-methyl-, hexyl esterSynonym
- CAS No.chemical registry number
- 2349-07-7
- EC No.EU chemical inventory number
- 219-075-8
- DTXSIDUS EPA chemical ID
- DTXSID2047519
- DTXCIDUS EPA compound ID
- DTXCID0027519
- IUPAC
- Hexyl 2-methylpropanoate
- Molecular formula
- C10H20O2
- Molecular weight
- 172.268 g/mol
Measured properties
- Appearance
- colourless to pale yellow liquid/fruity odour · liquid
- Boiling point
- 198.00 to 199.00 °C. @ 760.00 mm Hg · 199 °C
- Solubility
- very slightly · soluble in alcohol, propylene glycol, miscible with most fixed oils, insoluble in water
- Density
- 0.852-0.876
- Melting/freezing point
- &, lt, ℃
- Initial boiling point and range
- 201 ℃
- Flash point
- 76 ℃
- Vapour pressure
- 439 ㎩ (20℃)
- Water solubility
- 58.21 ㎎/ℓ (20℃, pH: 6.88~6.93)
- Relative density
- 0.859
- n-Octanol/water partition coefficient (Kow)
- 4.7 (log Pow, 25℃)
- Auto-ignition temperature
- 350 ℃ (1006~1008 mBar)
- Molecular weight
- 172.3
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 68 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance66
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Related literature
- RIFM fragrance ingredient safety assessment, octyl isobutyrate, CAS Registry Number 109-15-9. · 2022
- RIFM fragrance ingredient safety assessment, hexyl isovalerate, CAS Registry Number 10032-13-0. · 2020
- RIFM fragrance ingredient safety assessment, hexyl hexanoate, CAS Registry Number 6378-65-0. · 2020
Linked databases 15
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata